Cas no 446254-90-6 (BENZENE, 1,2,3-TRIBROMO-4-(2,3,6-TRIBROMOPHENOXY)-)
446254-90-6 structure
Product Name:BENZENE, 1,2,3-TRIBROMO-4-(2,3,6-TRIBROMOPHENOXY)-
CAS No:446254-90-6
MF:C12H4Br6O
MW:643.583559036255
CID:3365523
PubChem ID:86208448
Update Time:2025-04-21
BENZENE, 1,2,3-TRIBROMO-4-(2,3,6-TRIBROMOPHENOXY)- Chemical and Physical Properties
Names and Identifiers
-
- BENZENE, 1,2,3-TRIBROMO-4-(2,3,6-TRIBROMOPHENOXY)-
- PBDE 132
- UNII-52YSX4G22I
- 2,2',3,3',4,6'-Hexabromodiphenyl ether
- 52YSX4G22I
- DTXSID20879937
- Q27261032
- 446254-90-6
- BDE-132
-
- Inchi: 1S/C12H4Br6O/c13-5-3-4-8(11(18)9(5)16)19-12-7(15)2-1-6(14)10(12)17/h1-4H
- InChI Key: FFEKBOKDYRZGRV-UHFFFAOYSA-N
- SMILES: C1(Br)=CC=C(OC2=C(Br)C=CC(Br)=C2Br)C(Br)=C1Br
Computed Properties
- Exact Mass: 643.53009Da
- Monoisotopic Mass: 637.53624Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 304
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.6
- Topological Polar Surface Area: 9.2?2
BENZENE, 1,2,3-TRIBROMO-4-(2,3,6-TRIBROMOPHENOXY)- Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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